4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine

C38H30N2 — CID 141299156

IUPAC4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine
SMILESC=Cc1ccc(N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H30N2/c1-2-30-28-29-36(39(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38(37(30)31-18-8-3-9-19-31)40(34-24-14-6-15-25-34)35-26-16-7-17-27-35/h2-29H,1H2
InChIKeyWUVMAIRQSVMSEA-UHFFFAOYSA-N
MW514.67 g/mol
LogP10.94
Rot. Bonds8

About 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine

4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine (PubChem CID 141299156) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine
PubChem CID141299156
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine
SMILESC=Cc1ccc(N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H30N2/c1-2-30-28-29-36(39(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38(37(30)31-18-8-3-9-19-31)40(34-24-14-6-15-25-34)35-26-16-7-17-27-35/h2-29H,1H2
InChIKeyWUVMAIRQSVMSEA-UHFFFAOYSA-N
XLogP10.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine?
The IUPAC name of 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine (CID 141299156) is 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine is C=Cc1ccc(N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine?
The InChIKey is WUVMAIRQSVMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-2-30-28-29-36(39(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38(37(30)31-18-8-3-9-19-31)40(34-24-14-6-15-25-34)35-26-16-7-17-27-35/h2-29H,1H2.
What are the key properties of 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine?
4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine has a molecular weight of 514.67 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-N,1-N,2-N,2-N,3-pentakis-phenylbenzene-1,2-diamine is sourced from PubChem (CID 141299156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).